Welcome to the CAChe Molecular Modeling Tutorials

Department of Chemistry

University of Pittsburgh at Johnstown

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Predicting Reactivity
Energy Maps
General Chemistry
Ferrocene

Use a molecule from the Fragment Library to build another molecule

Task: Build -- Part 2

Time: 5 minutes

  1. Select File|Open and open the Fragment Library folder
  2. Open the Functional Groups folder.
  3. Choose nitro and click Open.  The nitro group opens in a new document window.
  4. Using the Select tool, , click in the workspace (no molecules or bonds) to select the nitro group.
  5. Select Edit|Copy.
  6. Click on the "nitrocyclo" window to activate it.
  7. Using the translate tool, , move the cyclopentadiene molecule away from the center of the window.
  8. Select Edit|Paste.  The nitro group will appear in the "nitrocyclo" document.
  9. Right now you have two separate molecules in the same window.  We want to join the two.
  10. Using the Select tool, click on one of the double bonded carbon atoms adjacent to the CH2. Holding down the Shift key, click on the nitrogen atom of the nitro group. Both the N and C atoms are selected.
  11. To join the two atoms, select Edit|Connect Atoms. The hydrogen atom will still be there. Don't worry.
  12. Click in the workspace to select all of the atoms and fix the geometry by selecting Beautify|Comprehensive.
  13. Save the molecule.  Select File|Save.

This ends the tutorial modules on building and modifying molecules.  In the next tutorial module you will learn how to view and manipulate the molecules you have built.